Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208883'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50208883 (CHEMBL429810 | sodium 2-(4-ethoxyphenoxy)-5-[3-(1-...) Show SMILES CCCCCCCCCCC#CC(O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C31H38O6S2/c1-3-5-6-7-8-9-10-11-12-13-14-28(32)31-27(21-22-38-31)24-15-20-29(30(23-24)39(33,34)35)37-26-18-16-25(17-19-26)36-4-2/h15-23,28,32H,3-12H2,1-2H3,(H,33,34,35)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay				Bioorg Med Chem 15: 3548-64 (2007) Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T
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